5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol

C114H104N10O11S — CID 159698154

IUPAC5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol
SMILESCCCCOc1ccc(-c2nc(-c3ccc(OCCCC)cc3O)nc(-c3ccc(OCCCC)cc3OCCCC)n2)c(O)c1.Cc1ccccc1-n1c(-c2ccccc2O)nc2ccccc21.Cc1ccccc1-n1c(-c2ccccc2O)nc2ncccc21.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2s1
InChIInChI=1S/C37H47N3O6.C20H16N2O.C19H15N3O.C19H13NO2.C19H13NOS/c1-5-9-19-43-26-13-16-29(32(41)23-26)35-38-36(30-17-14-27(24-33(30)42)44-20-10-6-2)40-37(39-35)31-18-15-28(45-21-11-7-3)25-34(31)46-22-12-8-4;1-14-8-2-5-11-17(14)22-18-12-6-4-10-16(18)21-20(22)15-9-3-7-13-19(15)23;1-13-7-2-4-9-15(13)22-16-10-6-12-20-18(16)21-19(22)14-8-3-5-11-17(14)23;2*21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13/h13-18,23-25,41-42H,5-12,19-22H2,1-4H3;2-13,23H,1H3;2-12,23H,1H3;2*1-12,21H
InChIKeyMXGWZXRPHJIZRL-UHFFFAOYSA-N
MW1822.21 g/mol
LogP28.01
Rot. Bonds27

About 5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol

5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol (PubChem CID 159698154) has the molecular formula C114H104N10O11S and a molecular weight of 1822.21 g/mol. Its IUPAC name is 5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol
PubChem CID159698154
Molecular FormulaC114H104N10O11S
Molecular Weight1822.21 g/mol
Exact Mass1820.76
IUPAC Name5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol
SMILESCCCCOc1ccc(-c2nc(-c3ccc(OCCCC)cc3O)nc(-c3ccc(OCCCC)cc3OCCCC)n2)c(O)c1.Cc1ccccc1-n1c(-c2ccccc2O)nc2ccccc21.Cc1ccccc1-n1c(-c2ccccc2O)nc2ncccc21.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2s1
InChIInChI=1S/C37H47N3O6.C20H16N2O.C19H15N3O.C19H13NO2.C19H13NOS/c1-5-9-19-43-26-13-16-29(32(41)23-26)35-38-36(30-17-14-27(24-33(30)42)44-20-10-6-2)40-37(39-35)31-18-15-28(45-21-11-7-3)25-34(31)46-22-12-8-4;1-14-8-2-5-11-17(14)22-18-12-6-4-10-16(18)21-20(22)15-9-3-7-13-19(15)23;1-13-7-2-4-9-15(13)22-16-10-6-12-20-18(16)21-19(22)14-8-3-5-11-17(14)23;2*21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13/h13-18,23-25,41-42H,5-12,19-22H2,1-4H3;2-13,23H,1H3;2-12,23H,1H3;2*1-12,21H
InChIKeyMXGWZXRPHJIZRL-UHFFFAOYSA-N
XLogP28.01
TPSA284.42 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001822.21
LogP ≤ 528.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide
CID 139341231
2-[5-(6-Methoxy-3-pyridinyl)-4-(1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-yl]-1,3-benzoxazole
CID 141175830
2-[6-(1,3-Benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366307
2-[6-(1,3-Benzothiazol-2-yl)-9-[5-(1-naphthalen-1-ylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366591
2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane
CID 157249715
2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol
CID 157312289
2-[6-(1,3-Benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 157314659
ZINC;2-(1,3-benzothiazol-2-yl)benzenethiolate;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;2-(1,3-benzoxazol-2-yl)benzenethiolate;bis(2-(1,3-benzoxazol-2-yl)phenol);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;ZINC
CID 157492627
2-[6-[2-(2-Hydroxyphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazol-2-yl]phenol;2-[5-[2-(2-hydroxyphenyl)-1-phenylbenzimidazol-5-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[1-phenyl-5-[1-phenyl-2-(2-sulfanylphenyl)benzimidazol-5-yl]benzimidazol-2-yl]benzenethiol;2-[5-[2-(2-sulfanylphenyl)-1,3-benzoselenazol-5-yl]-1,3-benzoselenazol-2-yl]benzenethiol;2-[5-[2-(2-sulfanylphenyl)-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]benzenethiol;2-[5-[2-(2-sulfanylphenyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]benzenethiol
CID 157689241
2-[1-ethyl-4-(3-isoquinolin-1-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-1-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-1-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane
CID 157753529
Benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)phenol;2-(6-methyl-1,3-benzothiazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-(6-phenyl-1,3-benzothiazol-2-yl)phenol);2-pyridin-2-ylphenol;2-(6-triphenylsilyl-1,3-benzoxazol-2-yl)phenol;ZINC
CID 158086726
5-Butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;octyl 3-[3-tert-butyl-5-(3-chloro-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)-4-hydroxyphenyl]propanoate;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol
CID 158243498

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol (CID 159698154) is 5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol is CCCCOc1ccc(-c2nc(-c3ccc(OCCCC)cc3O)nc(-c3ccc(OCCCC)cc3OCCCC)n2)c(O)c1.Cc1ccccc1-n1c(-c2ccccc2O)nc2ccccc21.Cc1ccccc1-n1c(-c2ccccc2O)nc2ncccc21.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2s1.
What is the InChIKey of 5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol?
The InChIKey is MXGWZXRPHJIZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47N3O6.C20H16N2O.C19H15N3O.C19H13NO2.C19H13NOS/c1-5-9-19-43-26-13-16-29(32(41)23-26)35-38-36(30-17-14-27(24-33(30)42)44-20-10-6-2)40-37(39-35)31-18-15-28(45-21-11-7-3)25-34(31)46-22-12-8-4;1-14-8-2-5-11-17(14)22-18-12-6-4-10-16(18)21-20(22)15-9-3-7-13-19(15)23;1-13-7-2-4-9-15(13)22-16-10-6-12-20-18(16)21-19(22)14-8-3-5-11-17(14)23;2*21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13/h13-18,23-25,41-42H,5-12,19-22H2,1-4H3;2-13,23H,1H3;2-12,23H,1H3;2*1-12,21H.
What are the key properties of 5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol?
5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol has a molecular weight of 1822.21 g/mol, XLogP of 28.01, 27 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-[4-(4-butoxy-2-hydroxyphenyl)-6-(2,4-dibutoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 159698154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).